7-methoxy-4-pyridin-4-ylchromen-2-one

C15H11NO3 — CID 13295

IUPAC7-methoxy-4-pyridin-4-ylchromen-2-one
SMILESCOc1ccc2c(-c3ccncc3)cc(=O)oc2c1
InChIInChI=1S/C15H11NO3/c1-18-11-2-3-12-13(10-4-6-16-7-5-10)9-15(17)19-14(12)8-11/h2-9H,1H3
InChIKeyIWMJGRNPLOQFAS-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.86
Rot. Bonds2

About 7-methoxy-4-pyridin-4-ylchromen-2-one

7-methoxy-4-pyridin-4-ylchromen-2-one (PubChem CID 13295) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 7-methoxy-4-pyridin-4-ylchromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-pyridin-4-ylchromen-2-one
PubChem CID13295
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name7-methoxy-4-pyridin-4-ylchromen-2-one
SMILESCOc1ccc2c(-c3ccncc3)cc(=O)oc2c1
InChIInChI=1S/C15H11NO3/c1-18-11-2-3-12-13(10-4-6-16-7-5-10)9-15(17)19-14(12)8-11/h2-9H,1H3
InChIKeyIWMJGRNPLOQFAS-UHFFFAOYSA-N
XLogP2.86
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-pyridin-4-ylchromen-2-one?
The IUPAC name of 7-methoxy-4-pyridin-4-ylchromen-2-one (CID 13295) is 7-methoxy-4-pyridin-4-ylchromen-2-one.
What is the SMILES notation for 7-methoxy-4-pyridin-4-ylchromen-2-one?
The canonical SMILES for 7-methoxy-4-pyridin-4-ylchromen-2-one is COc1ccc2c(-c3ccncc3)cc(=O)oc2c1.
What is the InChIKey of 7-methoxy-4-pyridin-4-ylchromen-2-one?
The InChIKey is IWMJGRNPLOQFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-18-11-2-3-12-13(10-4-6-16-7-5-10)9-15(17)19-14(12)8-11/h2-9H,1H3.
What are the key properties of 7-methoxy-4-pyridin-4-ylchromen-2-one?
7-methoxy-4-pyridin-4-ylchromen-2-one has a molecular weight of 253.26 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-pyridin-4-ylchromen-2-one is sourced from PubChem (CID 13295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).